Acetic acid-d - ≥99 atom% D , CAS No.758-12-3

CAS: 758-12-3 Cat. No.: A140018 Fórmula: [2H]C₂H₃O₂ Peso molecular: 61.06 Beilstein Registry Number: 1739249 Número EC: 212-059-1

CALIDAD & PUREZA ≥99 atom% D

Synonyms

ACETIC ACID-D|758-12-3|deuterio acetate|Acetic acid-d1|Acetic(2H)acid|Acetic (2H)acid|Monodeuteroacetic Acid|EINECS 212-059-1|MFCD00051050|Acetic (acid-d)|ethan(?H)oic acid|CH3COOD|(O-~2~H)Acetic acid|Acetic acid-d, 99 atom % D|DTXSID70997190|AKOS01589295

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Acetic acid-d (Monodeuteroacetic acid) is the monodeuterated form of acetic acid, in which the hydrogen atom of hydroxyl group has been replaced by deuterium (D). Infrared spectral studies of its vapors at 150°C in the range of 2-25μ have been reported.

Especificaciones

Sinónimos

ACETIC ACID-D | 758-12-3 | deuterio acetate | Acetic acid-d1 | Acetic(2H)acid | Acetic (2H)acid | Monodeuteroacetic Acid | EINECS 212-059-1 | MFCD00051050 | Acetic (acid-d) | ethan(?H)oic acid | CH3COOD | (O-~2~H)Acetic acid | Acetic acid-d, 99 atom % D | DTXSID70997190 | AKOS01589295

Especificaciones y pureza

≥99 atom% D

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥99 atom% D

Nombres e identificadores

Pubchem Sid

508811893

Sonrisas canónicas

CC(=O)O

IUPAC Name

deuterio acetate

InChIKey

QTBSBXVTEAMEQO-DYCDLGHISA-N

INCHI

1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i/hD

Isómeros SMILES

[2H]OC(=O)C

WGK Alemania

3

Número ONU

2789

Grupo de embalaje

II

Peso molecular

61.06

Beilstein

1739249

Reaxy-Rn

506007

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de inflamación (°F): 104°F
• Punto de inflamación (°C): 40 °C
• Punto de ebullición (°C): 116-117℃
• Punto de fusión (°C): 15-16℃
• Peso molecular: 61.060 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 61.0274 Da
• Monoisotopic Mass: 61.0274 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.000
• Isotope Atom Count: 1
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1